>compound Quercetin-3-O-alpha-L-rhamnopyranoside_Quercetin-3-O-alpha-L-rhamnopyranoside
#instrument UPLC Q-Tof Premier, Waters
>formula C21H20O11
#smiles Oc(c4)c(O)cc(c4)C(O1)=C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)C(=O)c(c(O)2)c(cc(O)c2)1
#RECORD LC-ESI-QTOF_train_data/PR100980.txt;LC-ESI-QTOF_train_data/PR100256.txt;LC-ESI-QTOF_train_data/PR101047.txt;LC-ESI-QTOF_train_data/PR100679.txt;LC-ESI-QTOF_train_data/PR101033.txt;LC-ESI-QTOF_train_data/PR100990.txt
>charge -1
>ionization [M-H]-
>parentmass 447.09274

>collision 5-60
151.0043 759.6
243.0318 768.4
255.0321 1538.0
271.0267 2746.0
300.0292 3800.0
301.0374 3078.0
447.0927 3708.0

>collision 5-60
71.0505 205.4
85.0296 285.8
121.029 14.18
129.0559 98.55
137.0244 38.91
147.0653 15.61
153.0202 73.6
165.0201 36.41
201.0552 24.69
229.0514 60.93
257.045 33.45
285.0439 17.32
287.057 106.9
303.0501 1333.0
304.0514 18.77
449.1084 23.19

>collision 5-60
71.0508 599.3
85.0292 887.3
121.0285 83.93
129.0543 276.7
137.0227 131.4
153.0179 252.1
165.0176 138.2
229.0487 161.8
257.0445 95.06
287.0545 2000.0
303.0486 3607.0
304.0537 106.8
449.1084 72.27

>collision 5-60
151.0051 659.6
179.0007 316.5
243.0323 676.8
255.0327 1263.0
271.0276 2472.0
300.0298 3402.0
301.0385 2607.0
447.0928 3066.0

>collision 5-60
71.0504 605.2
85.0284 788.7
121.0277 38.41
129.0536 291.9
137.0225 109.1
147.0634 51.76
153.0172 155.8
165.0169 97.76
201.0532 71.06
229.048 166.8
257.0429 91.6
285.0377 41.6
287.0525 222.0
303.047 3591.0
304.0508 98.12
449.1084 46.32

>collision 5-60
151.0042 671.2
178.999 323.5
227.0368 1043.0
243.0318 629.6
255.0316 2051.0
256.0378 223.4
271.0269 2397.0
272.0316 217.7
284.0353 758.6
285.0426 329.0
300.0295 3357.0
301.0376 2686.0
447.0927 3914.0
448.1033 403.9

